methyl 2-methyl-5-[[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxymethyl]furan-3-carboxylate

Systemtic Name: methyl 2-methyl-5-[[2-(2-oxidanylidenepropylsulfanyl)phenyl]carbonyloxymethyl]furan-3-carboxylate Openeye Name: methyl 5-[(2-acetonylsulfanylbenzoyl)oxymethyl]-2-methyl-furan-3-carboxylate CAS Name: 2-methyl-5-[[oxo-[2-(2-oxopropylthio)phenyl]methoxy]methyl]-3-furancarboxylic acid methyl ester IUPAC Name: methyl 2-methyl-5-[[2-(2-oxopropylsulfanyl)benzoyl]oxymethyl]furan-3-carboxylate Traditional Name: 5-[[2-(acetonylthio)benzoyl]oxymethyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C18H18O6S MolecularWeight: 362.39692

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(O1)COC(=O)C2=CC=CC=C2SCC(=O)C)C(=O)OC

Isomeric SMILES

CC1=C(C=C(O1)COC(=O)C2=CC=CC=C2SCC(=O)C)C(=O)OC

InChI

InChI=1S/C18H18O6S/c1-11(19)10-25-16-7-5-4-6-14(16)18(21)23-9-13-8-15(12(2)24-13)17(20)22-3/h4-8H,9-10H2,1-3H3